I am not familiar with xml files at all but trying to parse this:
<?xml version="1.0" encoding="ISO-8859-1"?>
<modeling>
<generator>
<i name="subversion" type="string">(build Dec 07 2018 23:19:03) complex parallel </i>
<i name="platform" type="string">LinuxIFC </i>
<i name="date" type="string">2019 07 11 </i>
<i name="time" type="string">11:56:12 </i>
</generator>
<incar>
<i type="int" name="ISTART"> 0</i>
<i type="string" name="PREC">accurate</i>
<i type="int" name="ISPIN"> 2</i>
<i type="int" name="NELMDL"> -8</i>
<i type="int" name="IBRION"> 2</i>
<i name="EDIFF"> 0.00001000</i>
<i name="EDIFFG"> -0.01000000</i>
<i type="int" name="NSW"> 200</i>
<i type="int" name="ISIF"> 2</i>
<i type="int" name="ISYM"> 2</i>
<i name="ENCUT"> 750.00000000</i>
<i name="POTIM"> 0.30000000</i>
</incar>
till now,I have managed to write code to get Elements
as:
#!/usr/bin/env python
import xml.etree.ElementTree as ET
tree = ET.parse("vasprun.xml")
root = tree.getroot()
for child in root:
print({x for x in root.findall(child.tag)})
which is giving output as:
{<Element 'generator' at 0x7f342220ca90>}
{<Element 'incar' at 0x7f342220cd10>}
I am trying to get the file from incar
as:
IStart=0
Prec=accurate
Can someone help me getting this?
CodePudding user response:
The below works (xpath)
import xml.etree.ElementTree as ET
xml = '''<?xml version="1.0" encoding="UTF-8"?>
<modeling>
<generator>
<i name="subversion" type="string">(build Dec 07 2018 23:19:03) complex parallel</i>
<i name="platform" type="string">LinuxIFC</i>
<i name="date" type="string">2019 07 11</i>
<i name="time" type="string">11:56:12</i>
</generator>
<incar>
<i type="int" name="ISTART">0</i>
<i type="string" name="PREC">accurate</i>
<i type="int" name="ISPIN">2</i>
<i type="int" name="NELMDL">-8</i>
<i type="int" name="IBRION">2</i>
<i name="EDIFF">0.00001000</i>
<i name="EDIFFG">-0.01000000</i>
<i type="int" name="NSW">200</i>
<i type="int" name="ISIF">2</i>
<i type="int" name="ISYM">2</i>
<i name="ENCUT">750.00000000</i>
<i name="POTIM">0.30000000</i>
</incar>
</modeling>'''
root = ET.fromstring(xml)
names = ['ISTART','PREC']
for name in names:
i = root.find(f'.//i[@name="{name}"]')
print(i.text)
output
0
accurate
CodePudding user response:
Added your sample XML to a file after appending the missing final tag </modeling>
Then:
import xml.etree.ElementTree as ET
with open('vasprun.xml') as xml:
root = ET.fromstring(xml.read())
for name in ['ISTART', 'PREC']:
if (t := root.find(f'.//i[@name="{name}"]')) is not None:
print(f'{name}:{t.text.strip()}')
CodePudding user response:
If the close modeling tag is present, you can use xpath for the job.
xpath to get ISTART value is : //incar/*[@name='ISTART']
xpath to get PREC value is : //incar/*[@name='PREC']
then :
from lxml import etree
xml_doc = """
<?xml version="1.0" encoding="ISO-8859-1"?>
<modeling>
<generator>
<i name="subversion" type="string">(build Dec 07 2018 23:19:03) complex parallel </i>
<i name="platform" type="string">LinuxIFC </i>
<i name="date" type="string">2019 07 11 </i>
<i name="time" type="string">11:56:12 </i>
</generator>
<incar>
<i type="int" name="ISTART"> 0</i>
<i type="string" name="PREC">accurate</i>
<i type="int" name="ISPIN"> 2</i>
<i type="int" name="NELMDL"> -8</i>
<i type="int" name="IBRION"> 2</i>
<i name="EDIFF"> 0.00001000</i>
<i name="EDIFFG"> -0.01000000</i>
<i type="int" name="NSW"> 200</i>
<i type="int" name="ISIF"> 2</i>
<i type="int" name="ISYM"> 2</i>
<i name="ENCUT"> 750.00000000</i>
<i name="POTIM"> 0.30000000</i>
</incar>
</modeling>
"""
parser = etree.XMLParser(resolve_entities=False, strip_cdata=False, recover=True, ns_clean=True)
xml_tree = etree.fromstring(xml_doc.encode(), parser=parser)
istart = xml_tree.xpath('//incar/*[@name="ISTART"]')
prec = xml_tree.xpath('//incar/*[@name="PREC"]')
print(f'ISTART={int(istart[0].text)}')
print(f'Prec={prec[0].text}')